N-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide

C23H22N4O3 — CID 102500827

IUPACN-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide
SMILESCCn1c(-c2ccc(NC(C)=O)cc2)nc2ccc(Oc3ccc(OC)cc3)nc21
InChIInChI=1S/C23H22N4O3/c1-4-27-22(16-5-7-17(8-6-16)24-15(2)28)25-20-13-14-21(26-23(20)27)30-19-11-9-18(29-3)10-12-19/h5-14H,4H2,1-3H3,(H,24,28)
InChIKeyAWSHYHGAQKOIHC-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.88
Rot. Bonds6

About N-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide

N-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide (PubChem CID 102500827) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide
PubChem CID102500827
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide
SMILESCCn1c(-c2ccc(NC(C)=O)cc2)nc2ccc(Oc3ccc(OC)cc3)nc21
InChIInChI=1S/C23H22N4O3/c1-4-27-22(16-5-7-17(8-6-16)24-15(2)28)25-20-13-14-21(26-23(20)27)30-19-11-9-18(29-3)10-12-19/h5-14H,4H2,1-3H3,(H,24,28)
InChIKeyAWSHYHGAQKOIHC-UHFFFAOYSA-N
XLogP4.88
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate
CID 142144169
N-[4-[(5,6-diamino-2-pyridinyl)oxy]phenyl]acetamide
CID 110178603
2-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 19729660
4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline
CID 104698565
2-[[5-(3,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 19729228
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
N-(4-acetamidophenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7813065
ethyl 2-[[5-(4-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 8708304
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
N-[4-(4-ethoxyphenoxy)phenyl]-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 42005355
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 45015339

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide (CID 102500827) is N-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide is CCn1c(-c2ccc(NC(C)=O)cc2)nc2ccc(Oc3ccc(OC)cc3)nc21.
What is the InChIKey of N-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide?
The InChIKey is AWSHYHGAQKOIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-4-27-22(16-5-7-17(8-6-16)24-15(2)28)25-20-13-14-21(26-23(20)27)30-19-11-9-18(29-3)10-12-19/h5-14H,4H2,1-3H3,(H,24,28).
What are the key properties of N-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide?
N-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide has a molecular weight of 402.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-ethyl-5-(4-methoxyphenoxy)imidazo[4,5-b]pyridin-2-yl]phenyl]acetamide is sourced from PubChem (CID 102500827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).